| SpectraBase Spectrum ID |
xMDpLJbPIE |
| Name |
2-Cyclobuten-1-one, 4-(1-hexynyl)-4-hydroxy-3-methoxy-2-(phenylethynyl)- |
| CAS Registry Number |
118070-31-8 |
| Comments |
Edited after expert review - Original record with SpectrumID 1297547 removed |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18O3 |
| InChI |
InChI=1S/C19H18O3/c1-3-4-5-9-14-19(21)17(20)16(18(19)22-2)13-12-15-10-7-6-8-11-15/h6-8,10-11,21H,3-5H2,1-2H3 |
| InChIKey |
WWQXXEUJJFGOJA-UHFFFAOYSA-N |
| Molecular Weight |
294.350 g/mol |
| SMILES |
OC1(C(C(=C1OC)C#Cc1ccccc1)=O)C#CCCCC |
| SPLASH |
splash10-0ukc-0290000000-e2c6b2561b02eb857958 |
| Source of Spectrum |
C-111-984-12 |
| Synonyms |
4-(1-hexynyl)-4-hydroxy-3-methoxy-2-(phenylethynyl)-2-cyclobuten-1-one
4-(hexynyl)-4-hydroxy-3-methoxy-2-(phenylethynyl)-2-cyclobuten-1-one |
| Wiley ID |
1718224 |
